2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide

C17H23Cl2N3O6S2 — CID 90592588

IUPAC2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O6S2/c1-20-15(23)11-29(25,26)12-6-9-22(10-7-12)16(24)5-8-21-30(27,28)17-13(18)3-2-4-14(17)19/h2-4,12,21H,5-11H2,1H3,(H,20,23)
InChIKeyJXZGAMUXWMOFJI-UHFFFAOYSA-N
MW500.43 g/mol
LogP0.81
Rot. Bonds8

About 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592588) has the molecular formula C17H23Cl2N3O6S2 and a molecular weight of 500.43 g/mol. Its IUPAC name is 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592588
Molecular FormulaC17H23Cl2N3O6S2
Molecular Weight500.43 g/mol
Exact Mass499.04
IUPAC Name2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O6S2/c1-20-15(23)11-29(25,26)12-6-9-22(10-7-12)16(24)5-8-21-30(27,28)17-13(18)3-2-4-14(17)19/h2-4,12,21H,5-11H2,1H3,(H,20,23)
InChIKeyJXZGAMUXWMOFJI-UHFFFAOYSA-N
XLogP0.81
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 72718859
2-[1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 71809132
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592591
2,6-dichloro-N-[3-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90629015
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide
CID 90592622
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550
2-[1-(2-cyanoacetyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592698

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592588) is 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is JXZGAMUXWMOFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O6S2/c1-20-15(23)11-29(25,26)12-6-9-22(10-7-12)16(24)5-8-21-30(27,28)17-13(18)3-2-4-14(17)19/h2-4,12,21H,5-11H2,1H3,(H,20,23).
What are the key properties of 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 500.43 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).